REMARK VINA RESULT: -4.6 1.617 2.233 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 20.883 -31.155 -1.118 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 20.778 -31.787 0.254 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 20.950 -31.018 1.415 0.00 0.00 0.010 A ATOM 4 C UNL d 1 20.904 -31.613 2.681 0.00 0.00 0.037 A ATOM 5 C UNL d 1 20.693 -32.983 2.785 0.00 0.00 0.065 A ATOM 6 C UNL d 1 20.509 -33.761 1.651 0.00 0.00 0.037 A ATOM 7 C UNL d 1 20.547 -33.166 0.387 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 20.662 -33.611 3.994 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 20.417 -34.541 3.854 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 19.565 -30.618 -1.632 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 19.183 -30.819 -2.968 0.00 0.00 0.010 A ATOM 12 C UNL d 1 18.012 -30.245 -3.471 0.00 0.00 0.037 A ATOM 13 C UNL d 1 17.211 -29.477 -2.634 0.00 0.00 0.065 A ATOM 14 C UNL d 1 17.547 -29.299 -1.298 0.00 0.00 0.037 A ATOM 15 C UNL d 1 18.724 -29.863 -0.799 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 16.075 -28.876 -3.093 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 15.649 -28.421 -2.348 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4